../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H Mg A2B_oP12_62_2c_c a b/a c/a x1 z1 x2 z2 x3 z3 standard 1 5.2712 0.58825315 1.131526 0.63922833 0.57446178 0.023082521 0.33182482 0.75216342 0.89681864 Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000